BioLiP

PDB

BioLiP

PDB CCD ID:

A1MAF

Number of entries in BioLiP:

Chemical formula:

C10 H8 B F O4

InChI:

InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m0/s1

InChIKey:

KOHUFVUIYUCFNG-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B1([C@H]2C[C@H]2c3ccc(c(c3O1)C(=O)O)F)O
CACTVS 3.385	OB1Oc2c(ccc(F)c2C(O)=O)[C@@H]3C[C@H]13
OpenEye OEToolkits 2.0.7	B1(C2CC2c3ccc(c(c3O1)C(=O)O)F)O
CACTVS 3.385	OB1Oc2c(ccc(F)c2C(O)=O)[CH]3C[CH]13

Name:

(1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid;
(1R,2S)-Xeruborbactam disodium

ChEMBL:

CHEMBL4646071

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).